Neohesperidin dihydrochalcone

CAS Registry Number®

20702-77-6

CAS Name

Neohesperidin dihydrochalcone

Molecular Formula

C28H36O15

Molecular Mass

612.58

Cite this Page

Neohesperidin dihydrochalcone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20702-77-6 (retrieved 2024-11-23) (CAS RN: 20702-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

InChIKey

InChIKey=ITVGXXMINPYUHD-CUVHLRMHSA-N

SMILES

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)C3=CC(O)=C(C(CCC4=CC(O)=C(OC)C=C4)=O)C(O)=C3

Canonical SMILES

O=C(C1=C(O)C=C(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)C=C1O)CCC4=CC=C(OC)C(O)=C4

Other Names for this Substance

  • 1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-
  • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-, β-D-
  • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-α-L-rhamnopyranosyl-
  • 1-[4-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
  • Neohesperidin dihydrochalcone

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Deleted or Replaced CAS Registry Numbers

71552-53-9

CAS INSIGHTSTM
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